methyl 2-[[(4-nitrophenyl)carbamoyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-nitrophenyl)carbamoyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-nitrophenyl)carbamoyl-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-nitroanilino)-oxomethyl]-propylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-nitrophenyl)carbamoyl-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-nitrophenyl)carbamoyl-propyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C16H18N4O5S MolecularWeight: 378.40292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S/c1-3-8-19(9-14-18-13(10-26-14)15(21)25-2)16(22)17-11-4-6-12(7-5-11)20(23)24/h4-7,10H,3,8-9H2,1-2H3,(H,17,22)